Glycoside
GD132235
Name:
3β-O-(2'3'4'6'-Tetra-O-Acetyl-β-D-Glucopyranosyl)CycloeucalenolFormula:
C44H68O10Smiles:
C=C(CCC(C)C1CCC2(C)C3CCC4C(C)C(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)CCC45CC35CCC12C)C(C)CAglycone:
C=C(CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC45CC35CCC12C)C(C)C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | 8.13 | Num_rotatable_bonds: | 12 |
| MolWt: | 757.02 | Num_heavy_atoms: | 54 |
| TPSA: | 123.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD53528
Formula: C30H50O
Smiles:
C=C(CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC45CC35CCC12C)C(C)C| HBA: | 1 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 8.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.73 | Num_heavy_atoms: | 31 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
